2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;2-chloro-N-(furan-2-ylmethyl)-5-(methoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine

C53H49Cl4F4N17O6 — CID 158085074

About 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;2-chloro-N-(furan-2-ylmethyl)-5-(methoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine

2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;2-chloro-N-(furan-2-ylmethyl)-5-(methoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 158085074) has the molecular formula C53H49Cl4F4N17O6 and a molecular weight of 1237.89 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;2-chloro-N-(furan-2-ylmethyl)-5-(methoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;2-chloro-N-(furan-2-ylmethyl)-5-(methoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 158085074
• Molecular Formula: C53H49Cl4F4N17O6
• Molecular Weight: 1237.89 g/mol
• Exact Mass: 1235.27
• IUPAC Name: 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;2-chloro-N-(furan-2-ylmethyl)-5-(methoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: CNC(=O)Cn1ccc2c(NCc3ccco3)nc(Cl)nc21.COCc1c[nH]c2nc(Cl)nc(NCc3ccco3)c12.Cc1[nH]c2nc(Cl)nc(NCc3ccco3)c2c1F.FC(F)(F)CCn1ccc2c(NCc3ccco3)nc(Cl)nc21
• InChI: InChI=1S/C14H12ClF3N4O.C14H14ClN5O2.C13H13ClN4O2.C12H10ClFN4O/c15-13-20-11(19-8-9-2-1-7-23-9)10-3-5-22(12(10)21-13)6-4-14(16,17)18;1-16-11(21)8-20-5-4-10-12(18-14(15)19-13(10)20)17-7-9-3-2-6-22-9;1-19-7-8-5-15-11-10(8)12(18-13(14)17-11)16-6-9-3-2-4-20-9;1-6-9(14)8-10(15-5-7-3-2-4-19-7)17-12(13)18-11(8)16-6/h1-3,5,7H,4,6,8H2,(H,19,20,21);2-6H,7-8H2,1H3,(H,16,21)(H,17,18,19);2-5H,6-7H2,1H3,(H2,15,16,17,18);2-4H,5H2,1H3,(H2,15,16,17,18)
• InChIKey: FNKMKEBFKNUMAB-UHFFFAOYSA-N
• XLogP: 12.50
• TPSA: 283.57 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1237.89
LogP ≤ 5	12.50
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;2-chloro-N-(furan-2-ylmethyl)-5-(methoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;2-chloro-N-(furan-2-ylmethyl)-5-(methoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 158085074) is 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;2-chloro-N-(furan-2-ylmethyl)-5-(methoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;2-chloro-N-(furan-2-ylmethyl)-5-(methoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;2-chloro-N-(furan-2-ylmethyl)-5-(methoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine is CNC(=O)Cn1ccc2c(NCc3ccco3)nc(Cl)nc21.COCc1c[nH]c2nc(Cl)nc(NCc3ccco3)c12.Cc1[nH]c2nc(Cl)nc(NCc3ccco3)c2c1F.FC(F)(F)CCn1ccc2c(NCc3ccco3)nc(Cl)nc21.

What is the InChIKey of 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;2-chloro-N-(furan-2-ylmethyl)-5-(methoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is FNKMKEBFKNUMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N4O.C14H14ClN5O2.C13H13ClN4O2.C12H10ClFN4O/c15-13-20-11(19-8-9-2-1-7-23-9)10-3-5-22(12(10)21-13)6-4-14(16,17)18;1-16-11(21)8-20-5-4-10-12(18-14(15)19-13(10)20)17-7-9-3-2-6-22-9;1-19-7-8-5-15-11-10(8)12(18-13(14)17-11)16-6-9-3-2-4-20-9;1-6-9(14)8-10(15-5-7-3-2-4-19-7)17-12(13)18-11(8)16-6/h1-3,5,7H,4,6,8H2,(H,19,20,21);2-6H,7-8H2,1H3,(H,16,21)(H,17,18,19);2-5H,6-7H2,1H3,(H2,15,16,17,18);2-4H,5H2,1H3,(H2,15,16,17,18).

What are the key properties of 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;2-chloro-N-(furan-2-ylmethyl)-5-(methoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine?

2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;2-chloro-N-(furan-2-ylmethyl)-5-(methoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 1237.89 g/mol, XLogP of 12.50, 18 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;2-chloro-N-(furan-2-ylmethyl)-5-(methoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158085074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).